CID 20118758

1-butanoylpiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCCC(=O)N1CCCC(C1)C(=O)O
InChI
InChI=1S/C10H17NO3/c1-2-4-9(12)11-6-3-5-8(7-11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKey
PCAOWXFECSLJQA-UHFFFAOYSA-N
Compound name
1-butanoylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.7
[M+Na]+ 222.11007 150.1
[M-H]- 198.11357 145.6
[M+NH4]+ 217.15467 162.6
[M+K]+ 238.08401 149.0
[M+H-H2O]+ 182.11811 139.3
[M+HCOO]- 244.11905 161.8
[M+CH3COO]- 258.13470 182.0
[M+Na-2H]- 220.09552 146.8
[M]+ 199.12030 142.3
[M]- 199.12140 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.